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Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]-
TL;DR: Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]- (CAS 105401-90-9) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methyl-2-propan-2-ylphenoxy)acetic acid
Also Known As: Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]-, 2-(4-methyl-2-propan-2-ylphenoxy)acetic acid, 2-isopropyl-4-methylphenoxyacetic acid, (2-ISOPROPYL-4-METHYLPHENOXY)ACETIC ACID, (2-isopropyl-4-methyl-phenoxy)-acetic acid
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
| SMILES | CC1=CC(=C(C=C1)OCC(=O)O)C(C)C |
| InChIKey | HZXPHEPHXVISFD-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]-
Property Insights of Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]-
The XLogP value of 3.2 indicates that Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]-?
The CAS number of Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]- is 105401-90-9.
What is the molecular formula of Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]-?
The molecular formula of Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]- is C12H16O3.
What is the molecular weight of Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]-?
The molecular weight of Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]- is 208.10994 g/mol.
Where can I buy Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]-?
You can request a quote for Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]-?
Yes, CoreyChem provides custom synthesis services for Acetic acid, [4-methyl-2-(1-methylethyl)phenoxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.